SCHEMBL5210263

SCHEMBL5210263

C[C@]1(O)C(=O)N[C@H]1c1ccco1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 1/20 0.42
ADORA2B P29275 11/20 0.42
ALDH1A1 P00352 4/20 0.41
GAA P10253 3/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
APEX1 P27695 1/20 0.40
ESR2 Q92731 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PABPC1 P11940 1/20 0.39
EIF4H Q15056 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6619538 0.71 ADORA2B (0.42) KDM4ENPSR1ADORA2BALDH1A1POLB
SCHEMBL5204918 0.71 ADORA2B (0.42) KDM4ENPSR1ADORA2BALDH1A1POLB
SCHEMBL5204925 0.71 ADORA2B (0.42) KDM4ENPSR1ADORA2BALDH1A1POLB
SCHEMBL6619534 0.71 ADORA2B (0.42) KDM4ENPSR1ADORA2BALDH1A1POLB
SCHEMBL6931336 0.70 ALDH1A1 (0.42) KDM4ENPSR1NPC1ADORA2BALDH1A1
SCHEMBL10567240 0.64 ALDH1A1 (0.48) KDM4ENPSR1NPC1ALDH1A1GAA
SCHEMBL10794871 0.63 ADORA2B (0.55) KDM4EADORA2BGAAPOLBL3MBTL1
SCHEMBL3073309 0.63 ALDH1A1 (0.49) KDM4ENPSR1ADORA2BALDH1A1GAA
SCHEMBL14492355 0.63 ALDH1A1 (0.62) KDM4ENPSR1NPC1ADORA2BALDH1A1
SCHEMBL3073312 0.63 ALDH1A1 (0.49) KDM4ENPSR1ADORA2BALDH1A1GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1423108-B1 C-2' METHYLATED DERIVATIVES OF PACLITAXEL FOR USE AS ANTITUMOUR AGENTS INDENA SPA (IT) 2007-06-06 EP disclosed
EP-1423108-B1 C-2' METHYLATED DERIVATIVES OF PACLITAXEL FOR USE AS ANTITUMOUR AGENTS INDENA SPA (IT) 2007-06-06 EP disclosed
US-7153884-B2 C-2′ methylated derivatives of paclitaxel for use as antitumour agents INDENA S.P.A. (IT) 2006-12-26 US disclosed
US-20040242674-A1 C-2' methylated derivatives of paclitaxel for use as antitumour agents INDENA S.P.A. (IT) 2004-12-02 US disclosed
EP-1423108-A1 C-2' METHYLATED DERIVATIVES OF PACLITAXEL FOR USE AS ANTITUMOUR AGENTS INDENA S.p.A. (IT) 2004-06-02 EP disclosed
WO-2003013503-A1 C-2' METHYLATED DERIVATIVES OF PACLITAXEL FOR USE AS ANTITUMOUR AGENTS INDENA S.P.A. (IT) 2003-02-20 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040242674-A1 C-2' methylated derivatives of paclitaxel for use as antitumour agents TOP2B, TOP2A, CCAR2 KDM4E 2848/4885NPSR1 2053/4885NPC1 1841/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.